all_aminoct94_dat = {
"TYR": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.049, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.049, 'type': 'HC'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'CE2', 'CD2', 'HD2'], ['CD2', 'CZ', 'CE2', 'HE2'], ['CD1', 'CZ', 'CE1', 'HE1'], ['CG', 'CE1', 'CD1', 'HD1'], ['CD1', 'CD2', 'CG', 'CB'], ['CE1', 'CE2', 'CZ', 'OH']],
	"INTX,KFORM":['INT', '1'],
	"HD2":{'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 19, 'NA': 21, 'I': 22, 'angle': 120.0, 'blen': 1.09, 'charge': 0.178, 'type': 'HA'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"OH":{'torsion': 180.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.36, 'charge': -0.5643, 'type': 'OH'},
	"HD1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09, 'charge': 0.178, 'type': 'HA'},
	"HE1":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09, 'charge': 0.1673, 'type': 'HA'},
	"HE2":{'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 19, 'I': 20, 'angle': 120.0, 'blen': 1.09, 'charge': 0.1673, 'type': 'HA'},
	"CD2":{'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 16, 'NA': 19, 'I': 21, 'angle': 120.0, 'blen': 1.4, 'charge': -0.1922, 'type': 'CA'},
	"NAMRES":'TYROSINE  COO- ANION',
	"CD1":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4, 'charge': -0.1922, 'type': 'CA'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'CE1', 'HE1', 'CZ', 'OH', 'HH', 'CE2', 'HE2', 'CD2', 'HD2', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"CE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 120.0, 'blen': 1.4, 'charge': -0.2458, 'type': 'CA'},
	"CE2":{'torsion': 0.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 19, 'angle': 120.0, 'blen': 1.4, 'charge': -0.2458, 'type': 'CA'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1092, 'type': 'H1'},
	"HH":{'torsion': 0.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 113.0, 'blen': 0.96, 'charge': 0.4017, 'type': 'HO'},
	"CZ":{'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 120.0, 'blen': 1.4, 'charge': 0.3395, 'type': 'C'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 23, 'I': 24, 'angle': 120.5, 'blen': 1.229, 'charge': -0.807, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.51, 'charge': 0.0243, 'type': 'CA'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.2015, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.0752, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 23, 'I': 25, 'angle': 120.5, 'blen': 1.229, 'charge': -0.807, 'type': 'O2'},
	"loopList":[['CG', 'CD2']],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 23, 'angle': 111.1, 'blen': 1.522, 'charge': 0.7817, 'type': 'C'},
},
"ASN": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1023, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1023, 'type': 'HC'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'OD1', 'ND2', 'HD21', 'HD22', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"ND2":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 116.6, 'blen': 1.335, 'charge': -0.9084, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8147, 'type': 'O2'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.2299, 'type': 'CT'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CB', 'ND2', 'CG', 'OD1'], ['CG', 'HD21', 'ND2', 'HD22']],
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1358, 'type': 'H1'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"INTX,KFORM":['INT', '1'],
	"CG":{'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 111.1, 'blen': 1.522, 'charge': 0.7153, 'type': 'C'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.208, 'type': 'CT'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HD21":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 119.8, 'blen': 1.01, 'charge': 0.415, 'type': 'H'},
	"OD1":{'torsion': 0.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229, 'charge': -0.601, 'type': 'O'},
	"HD22":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 119.8, 'blen': 1.01, 'charge': 0.415, 'type': 'H'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522, 'charge': 0.805, 'type': 'C'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8147, 'type': 'O2'},
	"NAMRES":'ASPARAGINE    COO- ANION',
},
"CYS": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1437, 'type': 'H1'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1437, 'type': 'H1'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'SG', 'HSG', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"SG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 116.0, 'blen': 1.81, 'charge': -0.3102, 'type': 'SH'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229, 'charge': -0.7981, 'type': 'O2'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.1996, 'type': 'CT'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1396, 'type': 'H1'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"INTX,KFORM":['INT', '1'],
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.1635, 'type': 'CT'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HSG":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 96.0, 'blen': 1.33, 'charge': 0.2068, 'type': 'HS'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 13, 'angle': 111.1, 'blen': 1.522, 'charge': 0.7497, 'type': 'C'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.7981, 'type': 'O2'},
	"NAMRES":'CYSTEINE  COO- ANION',
},
"ARG": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0371, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0371, 'type': 'HC'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['NE', 'NH1', 'CZ', 'NH2'], ['CD', 'CZ', 'NE', 'HE'], ['CZ', 'HH11', 'NH1', 'HH12'], ['CZ', 'HH21', 'NH2', 'HH22']],
	"HH11":{'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 20, 'I': 21, 'angle': 119.8, 'blen': 1.01, 'charge': 0.4493, 'type': 'H'},
	"HH12":{'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 20, 'I': 22, 'angle': 119.8, 'blen': 1.01, 'charge': 0.4493, 'type': 'H'},
	"HH21":{'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 23, 'I': 24, 'angle': 119.8, 'blen': 1.01, 'charge': 0.4493, 'type': 'H'},
	"HH22":{'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 23, 'I': 25, 'angle': 119.8, 'blen': 1.01, 'charge': 0.4493, 'type': 'H'},
	"INTX,KFORM":['INT', '1'],
	"NE":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 111.0, 'blen': 1.48, 'charge': -0.5564, 'type': 'N2'},
	"HG2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0185, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3481, 'type': 'N'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HD2":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0468, 'type': 'H1'},
	"HD3":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0468, 'type': 'H1'},
	"NAMRES":'ARGININE  COO- ANION',
	"HE":{'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 118.5, 'blen': 1.01, 'charge': 0.3479, 'type': 'H'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'HD2', 'HD3', 'NE', 'HE', 'CZ', 'NH1', 'HH11', 'HH12', 'NH2', 'HH21', 'HH22', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"NH2":{'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 17, 'NA': 19, 'I': 23, 'angle': 118.0, 'blen': 1.33, 'charge': -0.8737, 'type': 'N2'},
	"HG3":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0185, 'type': 'HC'},
	"NH1":{'torsion': 0.0, 'tree': 'B', 'NC': 14, 'NB': 17, 'NA': 19, 'I': 20, 'angle': 122.0, 'blen': 1.33, 'charge': -0.8737, 'type': 'N2'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1447, 'type': 'H1'},
	"CZ":{'torsion': 180.0, 'tree': 'B', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 123.0, 'blen': 1.33, 'charge': 0.8368, 'type': 'CA'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2764, 'type': 'H'},
	"CD":{'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.525, 'charge': 0.1114, 'type': 'CT'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 27, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8266, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': 0.0744, 'type': 'CT'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.3068, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.0374, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 28, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8266, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 26, 'angle': 111.1, 'blen': 1.522, 'charge': 0.8557, 'type': 'C'},
},
"LEU": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0974, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0974, 'type': 'HC'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"INTX,KFORM":['INT', '1'],
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"NAMRES":'LEUCINE  COO- ANION',
	"HG":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': -0.0374, 'type': 'HC'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG', 'CD1', 'HD11', 'HD12', 'HD13', 'CD2', 'HD21', 'HD22', 'HD23', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HD11":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1038, 'type': 'HC'},
	"HD12":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1038, 'type': 'HC'},
	"HD13":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1038, 'type': 'HC'},
	"CD2":{'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 17, 'angle': 109.47, 'blen': 1.525, 'charge': -0.4163, 'type': 'CT'},
	"CD1":{'torsion': 60.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.47, 'blen': 1.525, 'charge': -0.4163, 'type': 'CT'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1346, 'type': 'H1'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8199, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': 0.3706, 'type': 'CT'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.2847, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.2469, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 23, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8199, 'type': 'O2'},
	"HD21":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1038, 'type': 'HC'},
	"HD23":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1038, 'type': 'HC'},
	"HD22":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1038, 'type': 'HC'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522, 'charge': 0.8326, 'type': 'C'},
},
"HID": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0565, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0565, 'type': 'HC'},
	"NE2":{'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31, 'charge': -0.5629, 'type': 'NB'},
	"ND1":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39, 'charge': -0.3892, 'type': 'NA'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'CE1', 'ND1', 'HD1'], ['CG', 'NE2', 'CD2', 'HD2'], ['ND1', 'NE2', 'CE1', 'HE1'], ['ND1', 'CD2', 'CG', 'CB']],
	"CE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 108.0, 'blen': 1.32, 'charge': 0.1925, 'type': 'CR'},
	"INTX,KFORM":['INT', '1'],
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HD1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 126.0, 'blen': 1.01, 'charge': 0.3755, 'type': 'H'},
	"HD2":{'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09, 'charge': 0.1241, 'type': 'H4'},
	"HE1":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09, 'charge': 0.1418, 'type': 'H5'},
	"NAMRES":'HISTIDINE DELTAH COO- ANION',
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'HD1', 'CE1', 'HE1', 'NE2', 'CD2', 'HD2', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"CD2":{'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 110.0, 'blen': 1.36, 'charge': 0.1001, 'type': 'CV'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.11, 'type': 'H1'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8016, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': 0.0293, 'type': 'CC'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.1739, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.1046, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8016, 'type': 'O2'},
	"loopList":[['CG', 'CD2']],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522, 'charge': 0.7615, 'type': 'C'},
},
"HIE": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.062, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.062, 'type': 'HC'},
	"NE2":{'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 15, 'angle': 109.0, 'blen': 1.31, 'charge': -0.267, 'type': 'NA'},
	"ND1":{'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39, 'charge': -0.5517, 'type': 'NB'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CE1', 'CD2', 'NE2', 'HE2'], ['CG', 'NE2', 'CD2', 'HD2'], ['ND1', 'NE2', 'CE1', 'HE1'], ['ND1', 'CD2', 'CG', 'CB']],
	"CE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 108.0, 'blen': 1.32, 'charge': 0.1558, 'type': 'CR'},
	"INTX,KFORM":['INT', '1'],
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HE2":{'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 16, 'angle': 125.0, 'blen': 1.01, 'charge': 0.3319, 'type': 'H'},
	"HD2":{'torsion': 180.0, 'tree': 'E', 'NC': 13, 'NB': 15, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09, 'charge': 0.1957, 'type': 'H4'},
	"HE1":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 120.0, 'blen': 1.09, 'charge': 0.1448, 'type': 'H5'},
	"NAMRES":'HISTIDINE EPSILON-H   COO- ANION',
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'CE1', 'HE1', 'NE2', 'HE2', 'CD2', 'HD2', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"CD2":{'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 17, 'angle': 110.0, 'blen': 1.36, 'charge': -0.2588, 'type': 'CW'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.165, 'type': 'H1'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8065, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': 0.2724, 'type': 'CC'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.2699, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.1068, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8065, 'type': 'O2'},
	"loopList":[['CG', 'CD2']],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522, 'charge': 0.7916, 'type': 'C'},
},
"MET": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8105, 'type': 'O2'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"SD":{'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 110.0, 'blen': 1.81, 'charge': -0.2692, 'type': 'S'},
	"INTX,KFORM":['INT', '1'],
	"HG3":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0317, 'type': 'H1'},
	"HG2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0317, 'type': 'H1'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HE3":{'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 15, 'I': 18, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0625, 'type': 'H1'},
	"HE2":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 15, 'I': 17, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0625, 'type': 'H1'},
	"HE1":{'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 15, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0625, 'type': 'H1'},
	"NAMRES":'METHIONINE    COO- ANION',
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'SD', 'CE', 'HE1', 'HE2', 'HE3', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1277, 'type': 'H1'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"CE":{'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 100.0, 'blen': 1.78, 'charge': -0.0376, 'type': 'CT'},
	"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': 0.0492, 'type': 'CT'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.2597, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.0236, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8105, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522, 'charge': 0.8013, 'type': 'C'},
},
"IDBGEN,IREST,ITYPF":['1', '1', '201'],
"ALA": {	"HB2":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0764, 'type': 'HC'},
	"HB3":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0764, 'type': 'HC'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB1', 'HB2', 'HB3', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HB1":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0764, 'type': 'HC'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 13, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8055, 'type': 'O2'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.2093, 'type': 'CT'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1067, 'type': 'H1'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"INTX,KFORM":['INT', '1'],
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.1747, 'type': 'CT'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 12, 'angle': 111.1, 'blen': 1.522, 'charge': 0.7731, 'type': 'C'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 14, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8055, 'type': 'O2'},
	"NAMRES":'ALANINE COO- ANION',
},
"PHE": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0443, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0443, 'type': 'HC'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'CE2', 'CD2', 'HD2'], ['CD2', 'CZ', 'CE2', 'HE2'], ['CE1', 'CE2', 'CZ', 'HZ'], ['CD1', 'CZ', 'CE1', 'HE1'], ['CG', 'CE1', 'CD1', 'HD1'], ['CD1', 'CD2', 'CG', 'CB']],
	"INTX,KFORM":['INT', '1'],
	"HD2":{'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 18, 'NA': 20, 'I': 21, 'angle': 120.0, 'blen': 1.09, 'charge': 0.1408, 'type': 'HA'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HD1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09, 'charge': 0.1408, 'type': 'HA'},
	"HE1":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09, 'charge': 0.1461, 'type': 'HA'},
	"HE2":{'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.0, 'blen': 1.09, 'charge': 0.1461, 'type': 'HA'},
	"CD2":{'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 20, 'angle': 120.0, 'blen': 1.4, 'charge': -0.13, 'type': 'CA'},
	"NAMRES":'PHENYLALANINE COO- ANION',
	"CD1":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4, 'charge': -0.13, 'type': 'CA'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'CE1', 'HE1', 'CZ', 'HZ', 'CE2', 'HE2', 'CD2', 'HD2', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"CE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 120.0, 'blen': 1.4, 'charge': -0.1847, 'type': 'CA'},
	"CE2":{'torsion': 0.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 120.0, 'blen': 1.4, 'charge': -0.1847, 'type': 'CA'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1098, 'type': 'H1'},
	"CZ":{'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 120.0, 'blen': 1.4, 'charge': -0.0944, 'type': 'CA'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 22, 'I': 23, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8026, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': 0.0552, 'type': 'CA'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.1825, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.0959, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 22, 'I': 24, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8026, 'type': 'O2'},
	"loopList":[['CG', 'CD2']],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 22, 'angle': 111.1, 'blen': 1.522, 'charge': 0.766, 'type': 'C'},
	"HZ":{'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.09, 'charge': 0.128, 'type': 'HA'},
},
"CYX": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1228, 'type': 'H1'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1228, 'type': 'H1'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'SG', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"SG":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 116.0, 'blen': 1.81, 'charge': -0.0529, 'type': 'S'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 13, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8041, 'type': 'O2'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.1943, 'type': 'CT'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0938, 'type': 'H1'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"INTX,KFORM":['INT', '1'],
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.1318, 'type': 'CT'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 12, 'angle': 111.1, 'blen': 1.522, 'charge': 0.7618, 'type': 'C'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 14, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8041, 'type': 'O2'},
	"NAMRES":'CYSTINE(S-S BRIDGE)     COO- ANION',
},
"PRO": {	"HB2":{'torsion': 256.3, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0381, 'type': 'HC'},
	"HB3":{'torsion': 136.3, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0381, 'type': 'HC'},
	"impropTors":[['CA', 'OXT', 'C', 'O'], ['-M', 'CD', 'N', 'CA']],
	"INTX,KFORM":['INT', '1'],
	"HG3":{'torsion': 98.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0172, 'type': 'HC'},
	"HG2":{'torsion': 218.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0172, 'type': 'HC'},
	"CD":{'torsion': 356.1, 'tree': '3', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 126.1, 'blen': 1.458, 'charge': 0.0434, 'type': 'CT'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"loopList":[['CA', 'CB']],
	"HD2":{'torsion': 80.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0331, 'type': 'H1'},
	"HD3":{'torsion': 320.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0331, 'type': 'H1'},
	"NAMRES":'PROLINE COO- ANION',
	"atNameList":['N', 'CD', 'HD2', 'HD3', 'CG', 'HG2', 'HG3', 'CB', 'HB2', 'HB3', 'CA', 'HA', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HA":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0776, 'type': 'H1'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 117.0, 'blen': 1.337, 'charge': -0.2802, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.7697, 'type': 'O2'},
	"CG":{'torsion': 200.1, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 103.2, 'blen': 1.5, 'charge': 0.0466, 'type': 'CT'},
	"CA":{'torsion': 175.2, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 14, 'angle': 120.6, 'blen': 1.451, 'charge': -0.1336, 'type': 'CT'},
	"CB":{'torsion': 338.3, 'tree': 'B', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 11, 'angle': 106.0, 'blen': 1.51, 'charge': -0.0543, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.7697, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 300.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.522, 'charge': 0.6631, 'type': 'C'},
},
"LYS": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0482, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0482, 'type': 'HC'},
	"HZ2":{'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 22, 'angle': 109.47, 'blen': 1.01, 'charge': 0.3374, 'type': 'H'},
	"HZ3":{'torsion': 300.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 23, 'angle': 109.47, 'blen': 1.01, 'charge': 0.3374, 'type': 'H'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"HZ1":{'torsion': 60.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 21, 'angle': 109.47, 'blen': 1.01, 'charge': 0.3374, 'type': 'H'},
	"NZ":{'torsion': 180.0, 'tree': '3', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.47, 'blen': 1.47, 'charge': -0.3741, 'type': 'N3'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 24, 'I': 25, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8252, 'type': 'O2'},
	"INTX,KFORM":['INT', '1'],
	"HG3":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0134, 'type': 'HC'},
	"HG2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0134, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3481, 'type': 'N'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HE3":{'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1121, 'type': 'HP'},
	"HE2":{'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1121, 'type': 'HP'},
	"HD2":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0611, 'type': 'HC'},
	"HD3":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0611, 'type': 'HC'},
	"NAMRES":'LYSINE  COO- ANION',
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'HD2', 'HD3', 'CE', 'HE2', 'HE3', 'NZ', 'HZ1', 'HZ2', 'HZ3', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1438, 'type': 'H1'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2764, 'type': 'H'},
	"CD":{'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.525, 'charge': -0.0392, 'type': 'CT'},
	"CE":{'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 109.47, 'blen': 1.525, 'charge': -0.0176, 'type': 'CT'},
	"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': 0.0227, 'type': 'CT'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.2903, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.0538, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 24, 'I': 26, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8252, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 24, 'angle': 111.1, 'blen': 1.522, 'charge': 0.8488, 'type': 'C'},
},
"NAMDBF":'db94.dat',
"SER": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0813, 'type': 'H1'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0813, 'type': 'H1'},
	"HG":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.47, 'blen': 0.96, 'charge': 0.4474, 'type': 'HO'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'OG', 'HG', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8132, 'type': 'O2'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': 0.1123, 'type': 'CT'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"OG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.43, 'charge': -0.6514, 'type': 'OH'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1304, 'type': 'H1'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"INTX,KFORM":['INT', '1'],
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.2722, 'type': 'CT'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 13, 'angle': 111.1, 'blen': 1.522, 'charge': 0.8113, 'type': 'C'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8132, 'type': 'O2'},
	"NAMRES":'SERINE  COO- ANION',
},
"ASP": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': -0.0212, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': -0.0212, 'type': 'HC'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'OD1', 'OD2', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.7887, 'type': 'O2'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.0677, 'type': 'CT'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CB', 'OD1', 'CG', 'OD2']],
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1046, 'type': 'H1'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.5192, 'type': 'N'},
	"INTX,KFORM":['INT', '1'],
	"CG":{'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.527, 'charge': 0.8851, 'type': 'C'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.1817, 'type': 'CT'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.3055, 'type': 'H'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"OD2":{'torsion': 270.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 117.2, 'blen': 1.26, 'charge': -0.8162, 'type': 'O2'},
	"OD1":{'torsion': 90.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 117.2, 'blen': 1.26, 'charge': -0.8162, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522, 'charge': 0.7256, 'type': 'C'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 16, 'angle': 120.5, 'blen': 1.229, 'charge': -0.7887, 'type': 'O2'},
	"NAMRES":'ASPARTIC ACID COO- ANION',
},
"GLN": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0452, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0452, 'type': 'HC'},
	"NE2":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 116.6, 'blen': 1.335, 'charge': -0.9574, 'type': 'N'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'NE2', 'CD', 'OE1'], ['CD', 'HE21', 'NE2', 'HE22']],
	"INTX,KFORM":['INT', '1'],
	"HG3":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0203, 'type': 'HC'},
	"HG2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0203, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.2248, 'type': 'CT'},
	"NAMRES":'GLUTAMINE     COO- ANION',
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'OE1', 'NE2', 'HE21', 'HE22', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HE21":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 119.8, 'blen': 1.01, 'charge': 0.4304, 'type': 'H'},
	"HE22":{'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 119.8, 'blen': 1.01, 'charge': 0.4304, 'type': 'H'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1232, 'type': 'H1'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"CD":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 111.1, 'blen': 1.522, 'charge': 0.7093, 'type': 'C'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8042, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.021, 'type': 'CT'},
	"OE1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.6098, 'type': 'O'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.0664, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8042, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522, 'charge': 0.7775, 'type': 'C'},
},
"GLU": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': -0.0078, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': -0.0078, 'type': 'HC'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'OE1', 'CD', 'OE2']],
	"INTX,KFORM":['INT', '1'],
	"HG3":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': -0.0548, 'type': 'HC'},
	"HG2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': -0.0548, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.5192, 'type': 'N'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.2059, 'type': 'CT'},
	"OE2":{'torsion': 270.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 117.2, 'blen': 1.26, 'charge': -0.822, 'type': 'O2'},
	"NAMRES":'GLUTAMIC ACID COO- ANION',
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'OE1', 'OE2', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1399, 'type': 'H1'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.3055, 'type': 'H'},
	"CD":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.527, 'charge': 0.8183, 'type': 'C'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 17, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.793, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.51, 'charge': 0.0675, 'type': 'CT'},
	"OE1":{'torsion': 90.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 117.2, 'blen': 1.26, 'charge': -0.822, 'type': 'O2'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': 0.0071, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 17, 'I': 19, 'angle': 120.5, 'blen': 1.229, 'charge': -0.793, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 17, 'angle': 111.1, 'blen': 1.522, 'charge': 0.742, 'type': 'C'},
},
"TRP": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0497, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0497, 'type': 'HC'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 28, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8011, 'type': 'O2'},
	"HZ2":{'torsion': 0.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09, 'charge': 0.1567, 'type': 'HA'},
	"HZ3":{'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 21, 'I': 22, 'angle': 120.0, 'blen': 1.09, 'charge': 0.1507, 'type': 'HA'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CD1', 'CE2', 'NE1', 'HE1'], ['CE2', 'CH2', 'CZ2', 'HZ2'], ['CZ2', 'CZ3', 'CH2', 'HH2'], ['CH2', 'CE3', 'CZ3', 'HZ3'], ['CZ3', 'CD2', 'CE3', 'HE3'], ['CG', 'NE1', 'CD1', 'HD1'], ['CD1', 'CD2', 'CG', 'CB']],
	"CH2":{'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 19, 'angle': 116.0, 'blen': 1.39, 'charge': -0.102, 'type': 'CA'},
	"CZ3":{'torsion': 0.0, 'tree': 'B', 'NC': 16, 'NB': 17, 'NA': 19, 'I': 21, 'angle': 121.0, 'blen': 1.35, 'charge': -0.2287, 'type': 'CA'},
	"NE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 107.0, 'blen': 1.43, 'charge': -0.3316, 'type': 'NA'},
	"INTX,KFORM":['INT', '1'],
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HE3":{'torsion': 180.0, 'tree': 'E', 'NC': 19, 'NB': 21, 'NA': 23, 'I': 24, 'angle': 120.0, 'blen': 1.09, 'charge': 0.1491, 'type': 'HA'},
	"HD1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09, 'charge': 0.2043, 'type': 'H4'},
	"HE1":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 125.5, 'blen': 1.01, 'charge': 0.3413, 'type': 'H'},
	"NAMRES":'TRYPTOPHAN    COO- ANION',
	"CD1":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 127.0, 'blen': 1.34, 'charge': -0.1808, 'type': 'CW'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'NE1', 'HE1', 'CE2', 'CZ2', 'HZ2', 'CH2', 'HH2', 'CZ3', 'HZ3', 'CE3', 'HE3', 'CD2', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"CD2":{'torsion': 0.0, 'tree': 'E', 'NC': 19, 'NB': 21, 'NA': 23, 'I': 25, 'angle': 117.0, 'blen': 1.4, 'charge': 0.1078, 'type': 'CB'},
	"CE2":{'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31, 'charge': 0.1222, 'type': 'CN'},
	"CE3":{'torsion': 0.0, 'tree': 'B', 'NC': 17, 'NB': 19, 'NA': 21, 'I': 23, 'angle': 122.0, 'blen': 1.41, 'charge': -0.1837, 'type': 'CA'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1272, 'type': 'H1'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 27, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8011, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': -0.0796, 'type': 'C*'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.2084, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.0742, 'type': 'CT'},
	"CZ2":{'torsion': 180.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 128.0, 'blen': 1.4, 'charge': -0.2594, 'type': 'CA'},
	"loopList":[['CG', 'CD2'], ['CE2', 'CD2']],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 26, 'angle': 111.1, 'blen': 1.522, 'charge': 0.7658, 'type': 'C'},
	"HH2":{'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 17, 'NA': 19, 'I': 20, 'angle': 120.0, 'blen': 1.09, 'charge': 0.1401, 'type': 'HA'},
},
"GLY": {	"HA3":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1056, 'type': 'H1'},
	"atNameList":['N', 'H', 'CA', 'HA2', 'HA3', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HA2":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1056, 'type': 'H1'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 9, 'I': 10, 'angle': 120.5, 'blen': 1.229, 'charge': -0.7855, 'type': 'O2'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"INTX,KFORM":['INT', '1'],
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.2493, 'type': 'CT'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 9, 'angle': 110.4, 'blen': 1.522, 'charge': 0.7231, 'type': 'C'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 9, 'I': 11, 'angle': 120.5, 'blen': 1.229, 'charge': -0.7855, 'type': 'O2'},
	"NAMRES":'GLYCINE COO- ANION',
},
"THR": {	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG2', 'HG21', 'HG22', 'HG23', 'OG1', 'HG1', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HG23":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0586, 'type': 'HC'},
	"HB":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0078, 'type': 'H1'},
	"HG22":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0586, 'type': 'HC'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': 0.3025, 'type': 'CT'},
	"HG1":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.47, 'blen': 0.96, 'charge': 0.4119, 'type': 'HO'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1207, 'type': 'H1'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"HG21":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0586, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"INTX,KFORM":['INT', '1'],
	"OG1":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.43, 'charge': -0.6496, 'type': 'OH'},
	"CG2":{'torsion': 300.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': -0.1853, 'type': 'CT'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.242, 'type': 'CT'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8044, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522, 'charge': 0.781, 'type': 'C'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8044, 'type': 'O2'},
	"NAMRES":'THREONINE     COO- ANION',
},
"HIP": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0868, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0868, 'type': 'HC'},
	"NE2":{'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31, 'charge': -0.1683, 'type': 'NA'},
	"ND1":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39, 'charge': -0.1501, 'type': 'NA'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'CE1', 'ND1', 'HD1'], ['CE1', 'CD2', 'NE2', 'HE2'], ['CG', 'NE2', 'CD2', 'HD2'], ['ND1', 'NE2', 'CE1', 'HE1'], ['ND1', 'CD2', 'CG', 'CB']],
	"CE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 108.0, 'blen': 1.32, 'charge': -0.0251, 'type': 'CR'},
	"INTX,KFORM":['INT', '1'],
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HD1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 126.0, 'blen': 1.01, 'charge': 0.3883, 'type': 'H'},
	"HD2":{'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.0, 'blen': 1.09, 'charge': 0.2336, 'type': 'H4'},
	"HE1":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09, 'charge': 0.2694, 'type': 'H5'},
	"HE2":{'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 125.0, 'blen': 1.01, 'charge': 0.3913, 'type': 'H'},
	"NAMRES":'HISTIDINE PLUS COO-',
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'HD1', 'CE1', 'HE1', 'NE2', 'HE2', 'CD2', 'HD2', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"CD2":{'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 110.0, 'blen': 1.36, 'charge': -0.1256, 'type': 'CW'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1115, 'type': 'H1'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2764, 'type': 'H'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3481, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 20, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8177, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': 0.0298, 'type': 'CC'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.1445, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.08, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 20, 'I': 22, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8177, 'type': 'O2'},
	"loopList":[['CG', 'CD2']],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 20, 'angle': 111.1, 'blen': 1.522, 'charge': 0.8032, 'type': 'C'},
},
"VAL": {	"HG22":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0836, 'type': 'HC'},
	"HG23":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 17, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0836, 'type': 'HC'},
	"HG21":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0836, 'type': 'HC'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"HG13":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0836, 'type': 'HC'},
	"HG12":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0836, 'type': 'HC'},
	"HG11":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0836, 'type': 'HC'},
	"INTX,KFORM":['INT', '1'],
	"CG2":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.525, 'charge': -0.3064, 'type': 'CT'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CG1":{'torsion': 60.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': -0.3064, 'type': 'CT'},
	"NAMRES":'VALINE  COO- ANION',
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG1', 'HG11', 'HG12', 'HG13', 'CG2', 'HG21', 'HG22', 'HG23', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HB":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0308, 'type': 'HC'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1438, 'type': 'H1'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 18, 'I': 19, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8173, 'type': 'O2'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.3438, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': 0.194, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 18, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.8173, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 18, 'angle': 111.1, 'blen': 1.522, 'charge': 0.835, 'type': 'C'},
},
"ILE": {	"HG22":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1021, 'type': 'HC'},
	"HG23":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1021, 'type': 'HC'},
	"HG21":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1021, 'type': 'HC'},
	"HD13":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0196, 'type': 'HC'},
	"HG13":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0321, 'type': 'HC'},
	"HG12":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0321, 'type': 'HC'},
	"INTX,KFORM":['INT', '1'],
	"CG2":{'torsion': 60.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': -0.3498, 'type': 'CT'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CG1":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.525, 'charge': -0.0323, 'type': 'CT'},
	"NAMRES":'ISOLEUCINE    COO- ANION',
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG2', 'HG21', 'HG22', 'HG23', 'CG1', 'HG12', 'HG13', 'CD1', 'HD11', 'HD12', 'HD13', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HD11":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0196, 'type': 'HC'},
	"HD12":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0196, 'type': 'HC'},
	"HB":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0766, 'type': 'HC'},
	"CD1":{'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 17, 'angle': 109.47, 'blen': 1.525, 'charge': -0.0699, 'type': 'CT'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.1375, 'type': 'H1'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.3821, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229, 'charge': -0.819, 'type': 'O2'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.2681, 'type': 'H'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': -0.31, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 109.47, 'blen': 1.525, 'charge': 0.0363, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 23, 'angle': 120.5, 'blen': 1.229, 'charge': -0.819, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522, 'charge': 0.8343, 'type': 'C'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
},
"filename":'all_aminoct94.in',
}